[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenylpropanoate

Systemtic Name: [2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenylpropanoate Openeye Name: [2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-(4-iodo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodo-2-methylanilino)-2-oxoethyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-(4-iodo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C18H18INO3 MolecularWeight: 423.24489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C18H18INO3/c1-13-11-15(19)8-9-16(13)20-17(21)12-23-18(22)10-7-14-5-3-2-4-6-14/h2-6,8-9,11H,7,10,12H2,1H3,(H,20,21)